2-(but-2-ynylamino)-1,2-dimethylcyclopentan-1-ol

C11H19NO — CID 130674390

IUPAC2-(but-2-ynylamino)-1,2-dimethylcyclopentan-1-ol
SMILESCC#CCNC1(C)CCCC1(C)O
InChIInChI=1S/C11H19NO/c1-4-5-9-12-10(2)7-6-8-11(10,3)13/h12-13H,6-9H2,1-3H3
InChIKeyQXOIGUCZSZUXEK-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.29
Rot. Bonds2

About 2-(but-2-ynylamino)-1,2-dimethylcyclopentan-1-ol

2-(but-2-ynylamino)-1,2-dimethylcyclopentan-1-ol (PubChem CID 130674390) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(but-2-ynylamino)-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(but-2-ynylamino)-1,2-dimethylcyclopentan-1-ol
PubChem CID130674390
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(but-2-ynylamino)-1,2-dimethylcyclopentan-1-ol
SMILESCC#CCNC1(C)CCCC1(C)O
InChIInChI=1S/C11H19NO/c1-4-5-9-12-10(2)7-6-8-11(10,3)13/h12-13H,6-9H2,1-3H3
InChIKeyQXOIGUCZSZUXEK-UHFFFAOYSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(but-2-ynylamino)-1,2-dimethylcyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(but-2-ynylamino)-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of 2-(but-2-ynylamino)-1,2-dimethylcyclopentan-1-ol (CID 130674390) is 2-(but-2-ynylamino)-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 2-(but-2-ynylamino)-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 2-(but-2-ynylamino)-1,2-dimethylcyclopentan-1-ol is CC#CCNC1(C)CCCC1(C)O.
What is the InChIKey of 2-(but-2-ynylamino)-1,2-dimethylcyclopentan-1-ol?
The InChIKey is QXOIGUCZSZUXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-5-9-12-10(2)7-6-8-11(10,3)13/h12-13H,6-9H2,1-3H3.
What are the key properties of 2-(but-2-ynylamino)-1,2-dimethylcyclopentan-1-ol?
2-(but-2-ynylamino)-1,2-dimethylcyclopentan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-2-ynylamino)-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 130674390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).